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#$Date: 2016-03-23 16:08:07 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179363 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/60/4326082.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4326082
loop_
_publ_author_name
'Rachel C. Severance'
'Mark D. Smith'
'Hans-Conrad zur Loye'
_publ_contact_author_address
;University of South Carolina
Department of Chemistry and Biochemistry
631 Sumter Street
Columbia, SC 29208
;
_publ_contact_author_email       zurloye@mail.chem.sc.edu
_publ_contact_author_fax         +1-803-777-8508
_publ_contact_author_name        'Hans-Conrad zur Loye'
_publ_contact_author_phone       +1-803-777-6916
_publ_section_title
;
 Three-Dimensional Hybrid Framework Containing U2O13 Dimers Connected via
 Cation-Cation Interactions
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              7931
_journal_page_last               7933
_journal_paper_doi               10.1021/ic200985m
_journal_volume                  50
_journal_year                    2011
_chemical_formula_moiety         'C16 H8 N2 O17 U2'
_chemical_formula_sum            'C16 H8 N2 O17 U2'
_chemical_formula_weight         976.30
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 109.1930(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.6970(7)
_cell_length_b                   15.1449(9)
_cell_length_c                   12.2564(8)
_cell_measurement_reflns_used    4105
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      26.268
_cell_measurement_theta_min      2.214
_cell_volume                     2050.5(2)
_computing_cell_refinement       'SAINT-Plus Version 6.45 (Bruker, 2001)'
_computing_data_collection       'SMART Version 5.625 (Bruker, 2001)'
_computing_data_reduction        'SAINT-Plus Version 6.45 (Bruker, 2001)'
_computing_molecular_graphics    various
_computing_publication_material  'SHELXTL Version 6.14 (Bruker, 2000)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker SMART APEX CCD diffractometer'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0771
_diffrn_reflns_av_sigmaI/netI    0.0488
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            26060
_diffrn_reflns_theta_full        26.41
_diffrn_reflns_theta_max         26.41
_diffrn_reflns_theta_min         2.09
_exptl_absorpt_coefficient_mu    15.875
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.4486
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS Version 2.05 (Bruker, 2001)'
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_diffrn    3.162
_exptl_crystal_description       plate
_exptl_crystal_F_000             1752
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.04
_refine_diff_density_max         1.449
_refine_diff_density_min         -0.920
_refine_diff_density_rms         0.227
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.032
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     342
_refine_ls_number_reflns         4210
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.032
_refine_ls_R_factor_all          0.0416
_refine_ls_R_factor_gt           0.0306
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0254P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0611
_refine_ls_wR_factor_ref         0.0652
_reflns_number_gt                3555
_reflns_number_total             4210
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic200985m_si_002.cif
_cod_data_source_block           UO2(NO2TA)2
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4326082
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
U1 U 0.57959(2) 0.422283(16) 0.30539(2) 0.01219(8) Uani 1 1 d .
U2 U 0.34167(2) 0.369904(17) -0.02091(2) 0.01249(8) Uani 1 1 d .
C1 C 0.2859(7) 0.4082(5) 0.2382(7) 0.0175(17) Uani 1 1 d .
C2 C 0.1697(7) 0.4141(4) 0.2611(6) 0.0143(15) Uani 1 1 d .
C3 C 0.1613(7) 0.3961(4) 0.3694(6) 0.0151(16) Uani 1 1 d .
H3 H 0.2310 0.3802 0.4322 0.018 Uiso 1 1 calc R
C4 C 0.0497(7) 0.4018(5) 0.3837(6) 0.0164(16) Uani 1 1 d .
C5 C -0.0542(6) 0.4301(4) 0.2949(6) 0.0130(15) Uani 1 1 d .
C6 C -0.0436(7) 0.4503(4) 0.1887(6) 0.0160(16) Uani 1 1 d .
H6 H -0.1120 0.4708 0.1276 0.019 Uiso 1 1 calc R
C7 C 0.0665(7) 0.4407(4) 0.1714(6) 0.0172(16) Uani 1 1 d .
H7 H 0.0722 0.4524 0.0972 0.021 Uiso 1 1 calc R
C8 C -0.1777(6) 0.4312(4) 0.3058(6) 0.0136(15) Uani 1 1 d .
C9 C 0.0519(6) 0.1102(4) 0.3366(6) 0.0130(15) Uani 1 1 d .
C10 C 0.1778(6) 0.1380(4) 0.3441(6) 0.0137(15) Uani 1 1 d .
C11 C 0.2516(6) 0.1773(4) 0.4452(6) 0.0156(16) Uani 1 1 d .
H11 H 0.2215 0.1892 0.5068 0.019 Uiso 1 1 calc R
C12 C 0.3687(6) 0.1986(4) 0.4547(6) 0.0120(15) Uani 1 1 d .
C13 C 0.4178(6) 0.1837(4) 0.3664(6) 0.0131(15) Uani 1 1 d .
C14 C 0.3409(7) 0.1476(4) 0.2639(6) 0.0150(16) Uani 1 1 d .
H14 H 0.3691 0.1393 0.2003 0.018 Uiso 1 1 calc R
C15 C 0.2239(6) 0.1237(4) 0.2542(6) 0.0158(16) Uani 1 1 d .
H15 H 0.1739 0.0970 0.1848 0.019 Uiso 1 1 calc R
C16 C 0.5473(7) 0.2019(5) 0.3775(6) 0.0151(16) Uani 1 1 d .
N1 N 0.0414(6) 0.3807(4) 0.4973(5) 0.0169(14) Uani 1 1 d .
N2 N 0.4449(6) 0.2420(4) 0.5621(5) 0.0203(15) Uani 1 1 d .
O1 O 0.2824(5) 0.4097(3) 0.1343(4) 0.0233(13) Uani 1 1 d .
O2 O 0.3842(4) 0.4050(3) 0.3237(4) 0.0170(11) Uani 1 1 d .
O3 O -0.2306(4) 0.3574(3) 0.3045(4) 0.0167(11) Uani 1 1 d .
O4 O -0.2322(4) 0.5023(3) 0.3083(4) 0.0145(11) Uani 1 1 d .
O5 O 0.1188(5) 0.3306(3) 0.5592(4) 0.0246(13) Uani 1 1 d .
O6 O -0.0411(5) 0.4132(3) 0.5247(4) 0.0229(12) Uani 1 1 d .
O7 O -0.0055(4) 0.0617(3) 0.2521(4) 0.0168(11) Uani 1 1 d .
O8 O 0.0131(4) 0.1366(3) 0.4149(4) 0.0163(11) Uani 1 1 d .
O9 O 0.5710(4) 0.2746(3) 0.3393(4) 0.0189(12) Uani 1 1 d .
O10 O 0.6224(4) 0.1411(3) 0.4187(4) 0.0169(11) Uani 1 1 d .
O11 O 0.4014(5) 0.2544(4) 0.6391(5) 0.0293(14) Uani 1 1 d .
O12 O 0.5488(5) 0.2610(4) 0.5693(5) 0.0270(13) Uani 1 1 d .
O13 O 0.6327(5) 0.4464(3) 0.4538(4) 0.0191(12) Uani 1 1 d .
O14 O 0.5246(4) 0.3964(3) 0.1529(4) 0.0157(11) Uani 1 1 d .
O15 O 0.3568(4) 0.2584(3) 0.0194(4) 0.0188(11) Uani 1 1 d .
O16 O 0.3256(4) 0.4824(3) -0.0582(4) 0.0173(11) Uani 1 1 d .
O17 O 0.2744(5) 0.3225(4) -0.2152(5) 0.0184(12) Uani 1 1 d D
H17A H 0.235(7) 0.355(5) -0.257(6) 0.03(3) Uiso 1 1 d D
H17B H 0.266(8) 0.274(3) -0.224(7) 0.02(3) Uiso 1 1 d D
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
U U -9.6767 9.6646 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
O13 U1 O14 179.5(2) . .
O13 U1 O9 92.1(2) . .
O14 U1 O9 87.37(19) . .
O13 U1 O7 95.5(2) . 2
O14 U1 O7 84.96(19) . 2
O9 U1 O7 156.80(17) . 2
O13 U1 O2 87.1(2) . .
O14 U1 O2 92.7(2) . .
O9 U1 O2 76.95(17) . .
O7 U1 O2 81.57(17) 2 .
O13 U1 O3 94.4(2) . 1_655
O14 U1 O3 85.6(2) . 1_655
O9 U1 O3 72.54(16) . 1_655
O7 U1 O3 128.43(17) 2 1_655
O2 U1 O3 149.48(16) . 1_655
O13 U1 O4 82.8(2) . 1_655
O14 U1 O4 97.57(19) . 1_655
O9 U1 O4 124.27(16) . 1_655
O7 U1 O4 78.52(16) 2 1_655
O2 U1 O4 156.64(16) . 1_655
O3 U1 O4 52.82(15) 1_655 1_655
O13 U1 C8 88.6(2) . 1_655
O14 U1 C8 91.6(2) . 1_655
O9 U1 C8 98.63(18) . 1_655
O7 U1 C8 103.43(18) 2 1_655
O2 U1 C8 173.69(18) . 1_655
O3 U1 C8 26.56(17) 1_655 1_655
O4 U1 C8 26.26(16) 1_655 1_655
O15 U2 O16 178.6(2) . .
O15 U2 O1 92.8(2) . .
O16 U2 O1 85.7(2) . .
O15 U2 O17 87.7(2) . .
O16 U2 O17 93.5(2) . .
O1 U2 O17 145.07(19) . .
O15 U2 O8 92.0(2) . 4_665
O16 U2 O8 89.1(2) . 4_665
O1 U2 O8 142.70(17) . 4_665
O17 U2 O8 72.06(18) . 4_665
O15 U2 O10 91.03(19) . 4_565
O16 U2 O10 88.60(19) . 4_565
O1 U2 O10 72.32(17) . 4_565
O17 U2 O10 72.75(18) . 4_565
O8 U2 O10 144.52(16) 4_665 4_565
O15 U2 O14 86.34(19) . .
O16 U2 O14 93.10(18) . .
O1 U2 O14 70.20(17) . .
O17 U2 O14 144.54(19) . .
O8 U2 O14 73.25(17) 4_665 .
O10 U2 O14 142.23(16) 4_565 .
O1 C1 O2 123.5(7) . .
O1 C1 C2 117.7(6) . .
O2 C1 C2 118.8(7) . .
C3 C2 C7 119.5(7) . .
C3 C2 C1 121.9(6) . .
C7 C2 C1 118.6(7) . .
C4 C3 C2 118.5(7) . .
C4 C3 H3 120.7 . .
C2 C3 H3 120.7 . .
C3 C4 C5 122.4(7) . .
C3 C4 N1 118.0(6) . .
C5 C4 N1 119.5(7) . .
C6 C5 C4 118.3(7) . .
C6 C5 C8 118.0(6) . .
C4 C5 C8 123.4(7) . .
C7 C6 C5 119.9(7) . .
C7 C6 H6 120.0 . .
C5 C6 H6 120.0 . .
C6 C7 C2 121.2(7) . .
C6 C7 H7 119.4 . .
C2 C7 H7 119.4 . .
O4 C8 O3 120.2(7) . .
O4 C8 C5 121.7(6) . .
O3 C8 C5 118.0(6) . .
O4 C8 U1 61.7(4) . 1_455
O3 C8 U1 58.5(4) . 1_455
C5 C8 U1 174.1(5) . 1_455
O8 C9 O7 125.6(7) . .
O8 C9 C10 117.2(6) . .
O7 C9 C10 117.2(7) . .
C11 C10 C15 118.9(7) . .
C11 C10 C9 118.9(7) . .
C15 C10 C9 122.2(6) . .
C12 C11 C10 119.0(7) . .
C12 C11 H11 120.5 . .
C10 C11 H11 120.5 . .
C11 C12 C13 123.1(6) . .
C11 C12 N2 118.2(6) . .
C13 C12 N2 118.7(6) . .
C14 C13 C12 116.9(7) . .
C14 C13 C16 119.2(7) . .
C12 C13 C16 123.9(6) . .
C15 C14 C13 120.5(7) . .
C15 C14 H14 119.7 . .
C13 C14 H14 119.7 . .
C14 C15 C10 121.3(7) . .
C14 C15 H15 119.3 . .
C10 C15 H15 119.3 . .
O10 C16 O9 125.3(7) . .
O10 C16 C13 116.9(6) . .
O9 C16 C13 117.7(6) . .
O6 N1 O5 124.4(6) . .
O6 N1 C4 118.6(6) . .
O5 N1 C4 117.0(6) . .
O12 N2 O11 124.2(6) . .
O12 N2 C12 117.6(6) . .
O11 N2 C12 118.2(6) . .
C1 O1 U2 155.3(5) . .
C1 O2 U1 123.4(5) . .
C8 O3 U1 94.9(4) . 1_455
C8 O4 U1 92.0(4) . 1_455
C9 O7 U1 145.8(4) . 2_545
C9 O8 U2 142.6(5) . 4_566
C16 O9 U1 161.8(5) . .
C16 O10 U2 134.5(5) . 4_666
U1 O14 U2 145.9(3) . .
U2 O17 H17A 115(7) . .
U2 O17 H17B 115(6) . .
H17A O17 H17B 122(9) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
U1 O13 1.756(5) .
U1 O14 1.808(5) .
U1 O9 2.283(5) .
U1 O7 2.302(4) 2
U1 O2 2.384(5) .
U1 O3 2.431(5) 1_655
U1 O4 2.503(5) 1_655
U1 C8 2.840(7) 1_655
U2 O15 1.752(5) .
U2 O16 1.758(5) .
U2 O1 2.309(5) .
U2 O17 2.361(5) .
U2 O8 2.385(5) 4_665
U2 O10 2.430(5) 4_565
U2 O14 2.506(5) .
C1 O1 1.260(9) .
C1 O2 1.276(8) .
C1 C2 1.479(10) .
C2 C3 1.391(10) .
C2 C7 1.399(10) .
C3 C4 1.375(10) .
C3 H3 0.9500 .
C4 C5 1.405(9) .
C4 N1 1.463(9) .
C5 C6 1.383(10) .
C5 C8 1.494(10) .
C6 C7 1.379(10) .
C6 H6 0.9500 .
C7 H7 0.9500 .
C8 O4 1.257(8) .
C8 O3 1.275(8) .
C8 U1 2.840(7) 1_455
C9 O8 1.254(9) .
C9 O7 1.267(8) .
C9 C10 1.506(10) .
C10 C11 1.389(10) .
C10 C15 1.394(10) .
C11 C12 1.375(10) .
C11 H11 0.9500 .
C12 C13 1.400(10) .
C12 N2 1.479(9) .
C13 C14 1.393(10) .
C13 C16 1.501(10) .
C14 C15 1.382(10) .
C14 H14 0.9500 .
C15 H15 0.9500 .
C16 O10 1.258(8) .
C16 O9 1.262(8) .
N1 O6 1.224(8) .
N1 O5 1.233(7) .
N2 O12 1.224(8) .
N2 O11 1.225(8) .
O3 U1 2.431(5) 1_455
O4 U1 2.503(5) 1_455
O7 U1 2.302(4) 2_545
O8 U2 2.385(5) 4_566
O10 U2 2.430(5) 4_666
O17 H17A 0.75(5) .
O17 H17B 0.75(5) .
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O17 H17A O5 0.75(5) 2.25(7) 2.768(7) 128(8) 1_554
O17 H17A O4 0.75(5) 2.25(7) 2.866(7) 140(8) 3_565
O17 H17B O3 0.75(5) 2.01(5) 2.737(7) 163(9) 4_665
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
O1 C1 C2 C3 167.4(6) . .
O2 C1 C2 C3 -15.1(10) . .
O1 C1 C2 C7 -14.2(10) . .
O2 C1 C2 C7 163.4(6) . .
C7 C2 C3 C4 2.4(10) . .
C1 C2 C3 C4 -179.1(6) . .
C2 C3 C4 C5 -3.7(10) . .
C2 C3 C4 N1 178.6(6) . .
C3 C4 C5 C6 1.8(10) . .
N1 C4 C5 C6 179.5(6) . .
C3 C4 C5 C8 175.8(6) . .
N1 C4 C5 C8 -6.6(10) . .
C4 C5 C6 C7 1.4(10) . .
C8 C5 C6 C7 -172.9(6) . .
C5 C6 C7 C2 -2.6(10) . .
C3 C2 C7 C6 0.7(10) . .
C1 C2 C7 C6 -177.8(6) . .
C6 C5 C8 O4 -73.8(9) . .
C4 C5 C8 O4 112.3(8) . .
C6 C5 C8 O3 101.6(8) . .
C4 C5 C8 O3 -72.4(9) . .
O8 C9 C10 C11 11.2(9) . .
O7 C9 C10 C11 -168.4(6) . .
O8 C9 C10 C15 -170.5(6) . .
O7 C9 C10 C15 9.9(9) . .
C15 C10 C11 C12 -1.7(10) . .
C9 C10 C11 C12 176.7(6) . .
C10 C11 C12 C13 0.7(10) . .
C10 C11 C12 N2 178.8(6) . .
C11 C12 C13 C14 1.8(10) . .
N2 C12 C13 C14 -176.2(6) . .
C11 C12 C13 C16 -176.5(6) . .
N2 C12 C13 C16 5.5(10) . .
C12 C13 C14 C15 -3.4(10) . .
C16 C13 C14 C15 175.0(6) . .
C13 C14 C15 C10 2.5(10) . .
C11 C10 C15 C14 0.1(10) . .
C9 C10 C15 C14 -178.2(6) . .
C14 C13 C16 O10 -90.9(8) . .
C12 C13 C16 O10 87.3(9) . .
C14 C13 C16 O9 85.3(8) . .
C12 C13 C16 O9 -96.4(8) . .
C3 C4 N1 O6 154.9(6) . .
C5 C4 N1 O6 -22.8(9) . .
C3 C4 N1 O5 -25.3(9) . .
C5 C4 N1 O5 157.0(6) . .
C11 C12 N2 O12 -179.7(6) . .
C13 C12 N2 O12 -1.5(9) . .
C11 C12 N2 O11 2.2(10) . .
C13 C12 N2 O11 -179.6(6) . .
O2 C1 O1 U2 39.8(16) . .
C2 C1 O1 U2 -142.8(9) . .
O15 U2 O1 C1 41.2(12) . .
O16 U2 O1 C1 -138.7(12) . .
O17 U2 O1 C1 131.3(11) . .
O8 U2 O1 C1 -55.9(13) 4_665 .
O10 U2 O1 C1 131.4(12) 4_565 .
O14 U2 O1 C1 -43.9(11) . .
O1 C1 O2 U1 9.2(9) . .
C2 C1 O2 U1 -168.2(4) . .
O13 U1 O2 C1 160.8(5) . .
O14 U1 O2 C1 -19.7(5) . .
O9 U1 O2 C1 -106.4(5) . .
O7 U1 O2 C1 64.8(5) 2 .
O3 U1 O2 C1 -105.6(5) 1_655 .
O4 U1 O2 C1 96.5(6) 1_655 .
O4 C8 O3 U1 0.9(7) . 1_455
C5 C8 O3 U1 -174.5(5) . 1_455
O3 C8 O4 U1 -0.8(7) . 1_455
C5 C8 O4 U1 174.4(6) . 1_455
O8 C9 O7 U1 -71.0(11) . 2_545
C10 C9 O7 U1 108.6(8) . 2_545
O7 C9 O8 U2 0.0(12) . 4_566
C10 C9 O8 U2 -179.5(4) . 4_566
O10 C16 O9 U1 -133.2(13) . .
C13 C16 O9 U1 50.9(18) . .
O13 U1 O9 C16 52.0(15) . .
O14 U1 O9 C16 -127.9(15) . .
O7 U1 O9 C16 -57.2(17) 2 .
O2 U1 O9 C16 -34.5(15) . .
O3 U1 O9 C16 145.9(16) 1_655 .
O4 U1 O9 C16 134.7(15) 1_655 .
C8 U1 O9 C16 140.9(15) 1_655 .
O9 C16 O10 U2 11.9(11) . 4_666
C13 C16 O10 U2 -172.1(4) . 4_666
O9 U1 O14 U2 85.8(4) . .
O7 U1 O14 U2 -72.2(4) 2 .
O2 U1 O14 U2 9.0(4) . .
O3 U1 O14 U2 158.5(4) 1_655 .
O4 U1 O14 U2 -149.9(4) 1_655 .
C8 U1 O14 U2 -175.6(4) 1_655 .
O15 U2 O14 U1 -90.2(4) . .
O16 U2 O14 U1 88.5(4) . .
O1 U2 O14 U1 4.2(4) . .
O17 U2 O14 U1 -171.1(3) . .
O8 U2 O14 U1 176.6(5) 4_665 .
O10 U2 O14 U1 -3.2(6) 4_565 .
